3-methyl-1-tetrahydropyran-4-yl-butan-1-one | 854696-34-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 3-methyl-1-tetrahydropyran-4-yl-butan-1-one
• 英文别名: 3-Methyl-1-tetrahydropyran-4-yl-butan-1-on；3-Methyl-1-(oxan-4-yl)butan-1-one
• CAS: 854696-34-7
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: AUMNEQZRTWJFLC-UHFFFAOYSA-N

物化性质

• 沸点：
  247.7±33.0 °C(Predicted)
• 密度：
  0.953±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-methyl-1-tetrahydropyran-4-yl-butan-1-one 、 2,4-二硝基苯肼 生成 3-methyl-1-tetrahydropyran-4-yl-butan-1-one-(2,4-dinitro-phenylhydrazone)
  参考文献：
  名称：

  Hydantoins Containing a Tetrahydropyranyl Substituent¹

  摘要：

  DOI：

  10.1021/ja01259a057
• 作为产物：
  描述：

  4-氰基四氢吡喃 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 作用下， 生成 3-methyl-1-tetrahydropyran-4-yl-butan-1-one
  参考文献：
  名称：

  Hydantoins Containing a Tetrahydropyranyl Substituent¹

  摘要：

  DOI：

  10.1021/ja01259a057

文献信息

• Spiro bicyclic inhibitors of menin-MLL interaction
  申请人：Janssen Pharmaceutica NV

  公开号：US11220517B2

  公开（公告）日：2022-01-11

  The present invention relates to compounds of formula (I): wherein the variables have the meaning defined in the Specification. The compounds according to the present invention are useful for therapy and/or prophylaxis in a mammal, and in particular to spiro bicyclic compounds, pharmaceutical composition comprising such compounds, and their use as menin/MLL protein/protein interaction inhibitors, useful for treating diseases such as cancer, myelodysplastic syndrome (MDS) and diabetes.

  本发明涉及式（I）化合物： 其中的变量具有说明书中定义的含义。根据本发明的化合物可用于哺乳动物的治疗和/或预防，特别是螺环双环化合物、包含此类化合物的药物组合物，以及它们作为 menin/MLL 蛋白/蛋白相互作用抑制剂的用途，可用于治疗癌症、骨髓增生异常综合征（MDS）和糖尿病等疾病。
• SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION
  申请人：Janssen Pharmaceutica NV

  公开号：EP3512857B1

  公开（公告）日：2021-02-24
• Spiro Bicyclic Inhibitors Of Menin-MLL Interaction
  申请人：Janssen Pharmaceutica NV

  公开号：US20220227786A1

  公开（公告）日：2022-07-21

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a mammal, and in particular to spiro bicyclic compounds, pharmaceutical composition comprising such compounds, and their use as menin/MLL protein/protein interaction inhibitors, useful for treating diseases such as cancer, myelodysplastic syndrome (MDS) and diabetes.
• Hydantoins Containing a Tetrahydropyranyl Substituent¹
  作者：Henry R. Henze、Robert L. McKee

  DOI：10.1021/ja01259a057

  日期：1942.7